N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide

C27H23N7O2 — CID 137381981

IUPACN-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2[nH]1
InChIInChI=1S/C27H23N7O2/c1-15(2)30-27(35)23-11-17-3-4-18(12-22(17)32-23)25-33-21-9-10-36-24(21)26(34-25)31-20-7-5-16(6-8-20)19-13-28-29-14-19/h3-15,32H,1-2H3,(H,28,29)(H,30,35)(H,31,33,34)
InChIKeyLBOQQAHNIPQQRL-UHFFFAOYSA-N
MW477.53 g/mol
LogP5.64
Rot. Bonds6

About N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide

N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide (PubChem CID 137381981) has the molecular formula C27H23N7O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide
PubChem CID137381981
Molecular FormulaC27H23N7O2
Molecular Weight477.53 g/mol
Exact Mass477.19
IUPAC NameN-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide
SMILESCC(C)NC(=O)c1cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2[nH]1
InChIInChI=1S/C27H23N7O2/c1-15(2)30-27(35)23-11-17-3-4-18(12-22(17)32-23)25-33-21-9-10-36-24(21)26(34-25)31-20-7-5-16(6-8-20)19-13-28-29-14-19/h3-15,32H,1-2H3,(H,28,29)(H,30,35)(H,31,33,34)
InChIKeyLBOQQAHNIPQQRL-UHFFFAOYSA-N
XLogP5.64
TPSA124.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 55.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N~4~-Cyclopropyl-N~2~-(3-Methyl-1h-Indazol-6-Yl)furo[3,2-D]pyrimidine-2,4-Diamine
CID 67130050
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25222706
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225572
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46225574
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-indazol-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226079
3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 46226080
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carbonitrile
CID 46226137
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carboxamide
CID 46226156
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46226417
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[3-[3-(2H-tetrazol-5-yl)phenyl]pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 145951673
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[3-[4-(2H-tetrazol-5-yl)phenyl]pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 145954674

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide (CID 137381981) is N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide is CC(C)NC(=O)c1cc2ccc(-c3nc(Nc4ccc(-c5cn[nH]c5)cc4)c4occc4n3)cc2[nH]1.
What is the InChIKey of N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide?
The InChIKey is LBOQQAHNIPQQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N7O2/c1-15(2)30-27(35)23-11-17-3-4-18(12-22(17)32-23)25-33-21-9-10-36-24(21)26(34-25)31-20-7-5-16(6-8-20)19-13-28-29-14-19/h3-15,32H,1-2H3,(H,28,29)(H,30,35)(H,31,33,34).
What are the key properties of N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide?
N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-[4-[4-(1H-pyrazol-4-yl)anilino]furo[3,2-d]pyrimidin-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 137381981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).