N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide

C28H33FN10O2 — CID 167189499

IUPACN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(C2N=C(Nc3cc(C)[nH]n3)C=C3C=NNC32)CC1
InChIInChI=1S/C28H33FN10O2/c1-16-10-23(37-36-16)34-22-11-20-13-31-38-26(20)25(35-22)18-6-8-28(41-3,9-7-18)27(40)33-17(2)19-4-5-24(30-12-19)39-15-21(29)14-32-39/h4-5,10-15,17-18,25-26,38H,6-9H2,1-3H3,(H,33,40)(H2,34,35,36,37)/t17-,18?,25?,26?,28?/m0/s1
InChIKeyJEFOFSLJOORSPJ-LINRZWBOSA-N
MW560.64 g/mol
LogP2.97
Rot. Bonds7

About N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide

N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide (PubChem CID 167189499) has the molecular formula C28H33FN10O2 and a molecular weight of 560.64 g/mol. Its IUPAC name is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide
PubChem CID167189499
Molecular FormulaC28H33FN10O2
Molecular Weight560.64 g/mol
Exact Mass560.28
IUPAC NameN-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide
SMILESCOC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(C2N=C(Nc3cc(C)[nH]n3)C=C3C=NNC32)CC1
InChIInChI=1S/C28H33FN10O2/c1-16-10-23(37-36-16)34-22-11-20-13-31-38-26(20)25(35-22)18-6-8-28(41-3,9-7-18)27(40)33-17(2)19-4-5-24(30-12-19)39-15-21(29)14-32-39/h4-5,10-15,17-18,25-26,38H,6-9H2,1-3H3,(H,33,40)(H2,34,35,36,37)/t17-,18?,25?,26?,28?/m0/s1
InChIKeyJEFOFSLJOORSPJ-LINRZWBOSA-N
XLogP2.97
TPSA146.50 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.64
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide?
The IUPAC name of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide (CID 167189499) is N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide is COC1(C(=O)N[C@@H](C)c2ccc(-n3cc(F)cn3)nc2)CCC(C2N=C(Nc3cc(C)[nH]n3)C=C3C=NNC32)CC1.
What is the InChIKey of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide?
The InChIKey is JEFOFSLJOORSPJ-LINRZWBOSA-N. The full InChI is InChI=1S/C28H33FN10O2/c1-16-10-23(37-36-16)34-22-11-20-13-31-38-26(20)25(35-22)18-6-8-28(41-3,9-7-18)27(40)33-17(2)19-4-5-24(30-12-19)39-15-21(29)14-32-39/h4-5,10-15,17-18,25-26,38H,6-9H2,1-3H3,(H,33,40)(H2,34,35,36,37)/t17-,18?,25?,26?,28?/m0/s1.
What are the key properties of N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide?
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide has a molecular weight of 560.64 g/mol, XLogP of 2.97, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methoxy-4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]-7,7a-dihydro-1H-pyrazolo[3,4-c]pyridin-7-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 167189499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).