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

C20H24F2N6O3 — CID 163539538

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide
SMILESCc1cc2n(n1)CC[C@H](NC(=O)c1ncc3c(n1)[C@](C)(CC(C)(F)F)OC3)C(=O)N2C
InChIInChI=1S/C20H24F2N6O3/c1-11-7-14-27(4)18(30)13(5-6-28(14)26-11)24-17(29)16-23-8-12-9-31-19(2,15(12)25-16)10-20(3,21)22/h7-8,13H,5-6,9-10H2,1-4H3,(H,24,29)/t13-,19-/m0/s1
InChIKeyDZXWEJFKSNWCKY-DJJJIMSYSA-N
MW434.45 g/mol
LogP1.94
Rot. Bonds4

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

(7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide (PubChem CID 163539538) has the molecular formula C20H24F2N6O3 and a molecular weight of 434.45 g/mol. Its IUPAC name is (7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name(7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide
PubChem CID163539538
Molecular FormulaC20H24F2N6O3
Molecular Weight434.45 g/mol
Exact Mass434.19
IUPAC Name(7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide
SMILESCc1cc2n(n1)CC[C@H](NC(=O)c1ncc3c(n1)[C@](C)(CC(C)(F)F)OC3)C(=O)N2C
InChIInChI=1S/C20H24F2N6O3/c1-11-7-14-27(4)18(30)13(5-6-28(14)26-11)24-17(29)16-23-8-12-9-31-19(2,15(12)25-16)10-20(3,21)22/h7-8,13H,5-6,9-10H2,1-4H3,(H,24,29)/t13-,19-/m0/s1
InChIKeyDZXWEJFKSNWCKY-DJJJIMSYSA-N
XLogP1.94
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of (7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide (CID 163539538) is (7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for (7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for (7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide is Cc1cc2n(n1)CC[C@H](NC(=O)c1ncc3c(n1)[C@](C)(CC(C)(F)F)OC3)C(=O)N2C.
What is the InChIKey of (7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is DZXWEJFKSNWCKY-DJJJIMSYSA-N. The full InChI is InChI=1S/C20H24F2N6O3/c1-11-7-14-27(4)18(30)13(5-6-28(14)26-11)24-17(29)16-23-8-12-9-31-19(2,15(12)25-16)10-20(3,21)22/h7-8,13H,5-6,9-10H2,1-4H3,(H,24,29)/t13-,19-/m0/s1.
What are the key properties of (7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide?
(7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2,2-difluoropropyl)-N-[(6S)-2,4-dimethyl-5-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-7-methyl-5H-furo[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 163539538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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