N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide

C23H26N8O2 — CID 170347942

IUPACN-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)[C@@H](C)c1nc(C)nn1-2
InChIInChI=1S/C23H26N8O2/c1-5-18(32)15-11-25-19(28-23(33)14-6-7-14)10-16(15)27-21-20-17(8-9-24-21)31-22(12(2)30(20)4)26-13(3)29-31/h8-12,14H,5-7H2,1-4H3,(H2,24,25,27,28,33)/t12-/m0/s1
InChIKeyRQLPPSRGFUYMHX-LBPRGKRZSA-N
MW446.52 g/mol
LogP3.56
Rot. Bonds6

About N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide

N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 170347942) has the molecular formula C23H26N8O2 and a molecular weight of 446.52 g/mol. Its IUPAC name is N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID170347942
Molecular FormulaC23H26N8O2
Molecular Weight446.52 g/mol
Exact Mass446.22
IUPAC NameN-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
SMILESCCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)[C@@H](C)c1nc(C)nn1-2
InChIInChI=1S/C23H26N8O2/c1-5-18(32)15-11-25-19(28-23(33)14-6-7-14)10-16(15)27-21-20-17(8-9-24-21)31-22(12(2)30(20)4)26-13(3)29-31/h8-12,14H,5-7H2,1-4H3,(H2,24,25,27,28,33)/t12-/m0/s1
InChIKeyRQLPPSRGFUYMHX-LBPRGKRZSA-N
XLogP3.56
TPSA117.93 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[5-propanoyl-4-[[(4S)-2,4,5-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600238
N-[4-[[(4S)-2,4-dimethyl-5-(trideuteriomethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 171663354
N-[4-[(2,6-dimethyl-4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzodiazepin-7-yl)amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600322
N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,10-trimethyl-5H-pyrido[3,2-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044553
N-[5-(3,3,3-trideuteriopropanoyl)-4-[[(5R)-5,6,9-trimethyl-5H-pyrazino[2,3-c][1,7]naphthyridin-7-yl]amino]-2-pyridinyl]cyclopropanecarboxamide
CID 177044527
6-(cyclopropanecarbonylamino)-N-ethoxy-4-[(2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)amino]pyridazine-3-carboxamide
CID 174212169
N-[4-[[(4R)-2,4,5,9-tetramethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044780
N-[4-[[(4R)-2,3,4,5,8-pentamethyl-4H-pyrazolo[4,3-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 177044532
N-[4-[[3-(difluoromethylsulfonyl)-2-pyridinyl]amino]-5-propanoyl-2-pyridinyl]cyclopropanecarboxamide
CID 166130713
N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600201
N-[4-[[(4R)-2,3,4,5-tetramethyl-4H-imidazo[4,5-c]quinolin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 175973840
N-[5-(3,3,3-trideuteriopropanoyl)-4-[(2,5,8-trimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 170600341

Frequently Asked Questions

What is the IUPAC name of N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide (CID 170347942) is N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide is CCC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nccc2c1N(C)[C@@H](C)c1nc(C)nn1-2.
What is the InChIKey of N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is RQLPPSRGFUYMHX-LBPRGKRZSA-N. The full InChI is InChI=1S/C23H26N8O2/c1-5-18(32)15-11-25-19(28-23(33)14-6-7-14)10-16(15)27-21-20-17(8-9-24-21)31-22(12(2)30(20)4)26-13(3)29-31/h8-12,14H,5-7H2,1-4H3,(H2,24,25,27,28,33)/t12-/m0/s1.
What are the key properties of N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide?
N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 446.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-propanoyl-4-[[(7S)-4,7,8-trimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-10-yl]amino]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 170347942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).