1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide

C18H21N5O3 — CID 140764731

IUPAC1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide
SMILESCc1cc2n(n1)CC[C@@H](C1(C)OCc3cnc(C(N)=O)cc31)C(=O)N2C
InChIInChI=1S/C18H21N5O3/c1-10-6-15-22(3)17(25)12(4-5-23(15)21-10)18(2)13-7-14(16(19)24)20-8-11(13)9-26-18/h6-8,12H,4-5,9H2,1-3H3,(H2,19,24)/t12-,18?/m1/s1
InChIKeySXWNPAYRAGFBTQ-GKOGFXNCSA-N
MW355.40 g/mol
LogP1.11
Rot. Bonds2

About 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide

1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide (PubChem CID 140764731) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide
PubChem CID140764731
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide
SMILESCc1cc2n(n1)CC[C@@H](C1(C)OCc3cnc(C(N)=O)cc31)C(=O)N2C
InChIInChI=1S/C18H21N5O3/c1-10-6-15-22(3)17(25)12(4-5-23(15)21-10)18(2)13-7-14(16(19)24)20-8-11(13)9-26-18/h6-8,12H,4-5,9H2,1-3H3,(H2,19,24)/t12-,18?/m1/s1
InChIKeySXWNPAYRAGFBTQ-GKOGFXNCSA-N
XLogP1.11
TPSA103.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide?
The IUPAC name of 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide (CID 140764731) is 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide.
What is the SMILES notation for 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide?
The canonical SMILES for 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide is Cc1cc2n(n1)CC[C@@H](C1(C)OCc3cnc(C(N)=O)cc31)C(=O)N2C.
What is the InChIKey of 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide?
The InChIKey is SXWNPAYRAGFBTQ-GKOGFXNCSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-10-6-15-22(3)17(25)12(4-5-23(15)21-10)18(2)13-7-14(16(19)24)20-8-11(13)9-26-18/h6-8,12H,4-5,9H2,1-3H3,(H2,19,24)/t12-,18?/m1/s1.
What are the key properties of 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide?
1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-1-methyl-3H-furo[3,4-c]pyridine-6-carboxamide is sourced from PubChem (CID 140764731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).