N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

C26H34N10O2 — CID 147544376

IUPACN-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCCn1nc(Nc2nc3c(cc(C(=O)NC4CC4)n3CC)c3c2ncn3C)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C26H34N10O2/c1-5-35-18(25(37)28-16-7-8-16)13-17-22-21(27-15-33(22)4)23(30-24(17)35)29-20-14-19(36(6-2)31-20)26(38)34-11-9-32(3)10-12-34/h13-16H,5-12H2,1-4H3,(H,28,37)(H,29,30,31)
InChIKeyFPNRHMDBCOAMJV-UHFFFAOYSA-N
MW518.63 g/mol
LogP2.18
Rot. Bonds7

About N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide

N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (PubChem CID 147544376) has the molecular formula C26H34N10O2 and a molecular weight of 518.63 g/mol. Its IUPAC name is N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
PubChem CID147544376
Molecular FormulaC26H34N10O2
Molecular Weight518.63 g/mol
Exact Mass518.29
IUPAC NameN-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
SMILESCCn1nc(Nc2nc3c(cc(C(=O)NC4CC4)n3CC)c3c2ncn3C)cc1C(=O)N1CCN(C)CC1
InChIInChI=1S/C26H34N10O2/c1-5-35-18(25(37)28-16-7-8-16)13-17-22-21(27-15-33(22)4)23(30-24(17)35)29-20-14-19(36(6-2)31-20)26(38)34-11-9-32(3)10-12-34/h13-16H,5-12H2,1-4H3,(H,28,37)(H,29,30,31)
InChIKeyFPNRHMDBCOAMJV-UHFFFAOYSA-N
XLogP2.18
TPSA118.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.63
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The IUPAC name of N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide (CID 147544376) is N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide.
What is the SMILES notation for N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The canonical SMILES for N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is CCn1nc(Nc2nc3c(cc(C(=O)NC4CC4)n3CC)c3c2ncn3C)cc1C(=O)N1CCN(C)CC1.
What is the InChIKey of N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
The InChIKey is FPNRHMDBCOAMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N10O2/c1-5-35-18(25(37)28-16-7-8-16)13-17-22-21(27-15-33(22)4)23(30-24(17)35)29-20-14-19(36(6-2)31-20)26(38)34-11-9-32(3)10-12-34/h13-16H,5-12H2,1-4H3,(H,28,37)(H,29,30,31).
What are the key properties of N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide?
N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide has a molecular weight of 518.63 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-10-ethyl-7-[[1-ethyl-5-(4-methylpiperazine-1-carbonyl)pyrazol-3-yl]amino]-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide is sourced from PubChem (CID 147544376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).