N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide

C30H37FN6O2 — CID 170106611

IUPACN-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide
SMILESCN(C=O)c1cnc2cc(F)c(-c3ccc(N4CCC(N(C)C)CC4)nc3)c3c2c1N(C)C1CCCCC1O3
InChIInChI=1S/C30H37FN6O2/c1-34(2)20-11-13-37(14-12-20)26-10-9-19(16-33-26)27-21(31)15-22-28-29(24(17-32-22)35(3)18-38)36(4)23-7-5-6-8-25(23)39-30(27)28/h9-10,15-18,20,23,25H,5-8,11-14H2,1-4H3
InChIKeyUIRDGNJXTCOTAC-UHFFFAOYSA-N
MW532.66 g/mol
LogP4.70
Rot. Bonds5

About N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide

N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide (PubChem CID 170106611) has the molecular formula C30H37FN6O2 and a molecular weight of 532.66 g/mol. Its IUPAC name is N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide
PubChem CID170106611
Molecular FormulaC30H37FN6O2
Molecular Weight532.66 g/mol
Exact Mass532.30
IUPAC NameN-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide
SMILESCN(C=O)c1cnc2cc(F)c(-c3ccc(N4CCC(N(C)C)CC4)nc3)c3c2c1N(C)C1CCCCC1O3
InChIInChI=1S/C30H37FN6O2/c1-34(2)20-11-13-37(14-12-20)26-10-9-19(16-33-26)27-21(31)15-22-28-29(24(17-32-22)35(3)18-38)36(4)23-7-5-6-8-25(23)39-30(27)28/h9-10,15-18,20,23,25H,5-8,11-14H2,1-4H3
InChIKeyUIRDGNJXTCOTAC-UHFFFAOYSA-N
XLogP4.70
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.66
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide?
The IUPAC name of N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide (CID 170106611) is N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide.
What is the SMILES notation for N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide?
The canonical SMILES for N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide is CN(C=O)c1cnc2cc(F)c(-c3ccc(N4CCC(N(C)C)CC4)nc3)c3c2c1N(C)C1CCCCC1O3.
What is the InChIKey of N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide?
The InChIKey is UIRDGNJXTCOTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37FN6O2/c1-34(2)20-11-13-37(14-12-20)26-10-9-19(16-33-26)27-21(31)15-22-28-29(24(17-32-22)35(3)18-38)36(4)23-7-5-6-8-25(23)39-30(27)28/h9-10,15-18,20,23,25H,5-8,11-14H2,1-4H3.
What are the key properties of N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide?
N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide has a molecular weight of 532.66 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[17-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-16-fluoro-9-methyl-2-oxa-9,13-diazatetracyclo[8.7.1.03,8.014,18]octadeca-1(18),10,12,14,16-pentaen-11-yl]-N-methylformamide is sourced from PubChem (CID 170106611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).