(5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone

C33H35ClN8O4 — CID 164687788

IUPAC(5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone
SMILESCOc1ccc2cc1OCCCN(C(=O)c1cncc(Cl)c1)CCCCN(C(=O)c1cnc3cnn(C)c3c1)CCn1ccnc1-2
InChIInChI=1S/C33H35ClN8O4/c1-39-28-17-25(20-37-27(28)22-38-39)33(44)42-10-4-3-9-41(32(43)24-16-26(34)21-35-19-24)11-5-15-46-30-18-23(6-7-29(30)45-2)31-36-8-12-40(31)13-14-42/h6-8,12,16-22H,3-5,9-11,13-15H2,1-2H3
InChIKeyYPFBWRICSUPVCU-UHFFFAOYSA-N
MW643.15 g/mol
LogP4.74
Rot. Bonds3

About (5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone

(5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone (PubChem CID 164687788) has the molecular formula C33H35ClN8O4 and a molecular weight of 643.15 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone
PubChem CID164687788
Molecular FormulaC33H35ClN8O4
Molecular Weight643.15 g/mol
Exact Mass642.25
IUPAC Name(5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone
SMILESCOc1ccc2cc1OCCCN(C(=O)c1cncc(Cl)c1)CCCCN(C(=O)c1cnc3cnn(C)c3c1)CCn1ccnc1-2
InChIInChI=1S/C33H35ClN8O4/c1-39-28-17-25(20-37-27(28)22-38-39)33(44)42-10-4-3-9-41(32(43)24-16-26(34)21-35-19-24)11-5-15-46-30-18-23(6-7-29(30)45-2)31-36-8-12-40(31)13-14-42/h6-8,12,16-22H,3-5,9-11,13-15H2,1-2H3
InChIKeyYPFBWRICSUPVCU-UHFFFAOYSA-N
XLogP4.74
TPSA120.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.15
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone with MolForge

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Related Compounds

(5R)-5-[9-[5-(2-chlorophenyl)-2-methylfuran-3-carbonyl]-20-methoxy-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-14-carbonyl]pyrrolidin-2-one
CID 162637050
1,3-benzothiazol-6-yl-[20-methoxy-15-(5-methylpyrazine-2-carbonyl)-18-oxa-3,6,10,15-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-10-yl]methanone
CID 162635000
[20-methoxy-14-(1-phenyltriazole-4-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-9-yl]-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
CID 162636592
3-[2-[20-methoxy-14-(5-oxopyrrolidine-2-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-9-yl]-2-oxoethyl]quinazolin-4-one
CID 162629391
methyl 6-[(12R)-22-methoxy-11,14-dioxo-12-propan-2-yl-20-oxa-3,6,10,13,16-pentazatricyclo[19.3.1.02,6]pentacosa-1(25),2,4,21,23-pentaene-16-carbonyl]pyridine-3-carboxylate
CID 157017564
(5S)-5-[20-methoxy-9-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-14-carbonyl]pyrrolidin-2-one
CID 162633780
(11R)-15-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 137337062
(12R)-16-(imidazo[1,2-b]pyridazine-3-carbonyl)-22-methoxy-12-propan-2-yl-20-oxa-3,6,10,13,16-pentazatricyclo[19.3.1.02,6]pentacosa-1(25),2,4,21,23-pentaene-11,14-dione
CID 157016134
(12R)-22-methoxy-12-propan-2-yl-16-(pyridine-2-carbonyl)-20-oxa-3,6,10,13,16-pentazatricyclo[19.3.1.02,6]pentacosa-1(25),2,4,21,23-pentaene-11,14-dione
CID 157017326
(2S,6R)-12-(1-acetylpiperidine-4-carbonyl)-4-(5-chloropyridine-3-carbonyl)-17-methoxy-15-oxa-4,8,12-triazatricyclo[14.3.1.02,6]icosa-1(20),16,18-trien-7-one
CID 155909467
(11R)-15-(2,3-dimethylquinoxaline-6-carbonyl)-20-methoxy-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 135095952
(11R)-20-methoxy-15-(6-oxo-1H-pyrazine-3-carbonyl)-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione
CID 135099903

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone?
The IUPAC name of (5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone (CID 164687788) is (5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone.
What is the SMILES notation for (5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone?
The canonical SMILES for (5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone is COc1ccc2cc1OCCCN(C(=O)c1cncc(Cl)c1)CCCCN(C(=O)c1cnc3cnn(C)c3c1)CCn1ccnc1-2.
What is the InChIKey of (5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone?
The InChIKey is YPFBWRICSUPVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35ClN8O4/c1-39-28-17-25(20-37-27(28)22-38-39)33(44)42-10-4-3-9-41(32(43)24-16-26(34)21-35-19-24)11-5-15-46-30-18-23(6-7-29(30)45-2)31-36-8-12-40(31)13-14-42/h6-8,12,16-22H,3-5,9-11,13-15H2,1-2H3.
What are the key properties of (5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone?
(5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone has a molecular weight of 643.15 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl)-[20-methoxy-9-(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)-18-oxa-3,6,9,14-tetrazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaen-14-yl]methanone is sourced from PubChem (CID 164687788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).