N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide

C23H22FN7O2 — CID 167521445

IUPACN-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#CC(NC(=O)C(CC1CC1)NC(=O)C1Cc2cccc(F)c2N1)c1ncn2cnccc12
InChIInChI=1S/C23H22FN7O2/c24-15-3-1-2-14-9-17(28-20(14)15)23(33)29-16(8-13-4-5-13)22(32)30-18(10-25)21-19-6-7-26-11-31(19)12-27-21/h1-3,6-7,11-13,16-18,28H,4-5,8-9H2,(H,29,33)(H,30,32)
InChIKeyVLKNZWVJDILDKL-UHFFFAOYSA-N
MW447.47 g/mol
LogP1.87
Rot. Bonds7

About N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide

N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 167521445) has the molecular formula C23H22FN7O2 and a molecular weight of 447.47 g/mol. Its IUPAC name is N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID167521445
Molecular FormulaC23H22FN7O2
Molecular Weight447.47 g/mol
Exact Mass447.18
IUPAC NameN-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide
SMILESN#CC(NC(=O)C(CC1CC1)NC(=O)C1Cc2cccc(F)c2N1)c1ncn2cnccc12
InChIInChI=1S/C23H22FN7O2/c24-15-3-1-2-14-9-17(28-20(14)15)23(33)29-16(8-13-4-5-13)22(32)30-18(10-25)21-19-6-7-26-11-31(19)12-27-21/h1-3,6-7,11-13,16-18,28H,4-5,8-9H2,(H,29,33)(H,30,32)
InChIKeyVLKNZWVJDILDKL-UHFFFAOYSA-N
XLogP1.87
TPSA124.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide (CID 167521445) is N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide is N#CC(NC(=O)C(CC1CC1)NC(=O)C1Cc2cccc(F)c2N1)c1ncn2cnccc12.
What is the InChIKey of N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is VLKNZWVJDILDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O2/c24-15-3-1-2-14-9-17(28-20(14)15)23(33)29-16(8-13-4-5-13)22(32)30-18(10-25)21-19-6-7-26-11-31(19)12-27-21/h1-3,6-7,11-13,16-18,28H,4-5,8-9H2,(H,29,33)(H,30,32).
What are the key properties of N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide?
N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 1.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[cyano(imidazo[1,5-c]pyrimidin-1-yl)methyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-fluoro-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 167521445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).