N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C45H52FN9O4 — CID 170740978

IUPACN-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C1CCC(c2ccc(N3CCC4(CCC(CN5CCC(n6cc7cc(NC(=O)c8cnn9cccnc89)c(OCC8CC8)cc7n6)CC5)CC4)CC3)cc2F)C(=O)N1
InChIInChI=1S/C45H52FN9O4/c46-37-23-33(4-5-34(37)35-6-7-41(56)50-43(35)57)53-20-14-45(15-21-53)12-8-29(9-13-45)26-52-18-10-32(11-19-52)55-27-31-22-39(40(24-38(31)51-55)59-28-30-2-3-30)49-44(58)36-25-48-54-17-1-16-47-42(36)54/h1,4-5,16-17,22-25,27,29-30,32,35H,2-3,6-15,18-21,26,28H2,(H,49,58)(H,50,56,57)
InChIKeyQCNIPBXGALLUNL-UHFFFAOYSA-N
MW801.97 g/mol
LogP6.89
Rot. Bonds10

About N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 170740978) has the molecular formula C45H52FN9O4 and a molecular weight of 801.97 g/mol. Its IUPAC name is N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID170740978
Molecular FormulaC45H52FN9O4
Molecular Weight801.97 g/mol
Exact Mass801.41
IUPAC NameN-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C1CCC(c2ccc(N3CCC4(CCC(CN5CCC(n6cc7cc(NC(=O)c8cnn9cccnc89)c(OCC8CC8)cc7n6)CC5)CC4)CC3)cc2F)C(=O)N1
InChIInChI=1S/C45H52FN9O4/c46-37-23-33(4-5-34(37)35-6-7-41(56)50-43(35)57)53-20-14-45(15-21-53)12-8-29(9-13-45)26-52-18-10-32(11-19-52)55-27-31-22-39(40(24-38(31)51-55)59-28-30-2-3-30)49-44(58)36-25-48-54-17-1-16-47-42(36)54/h1,4-5,16-17,22-25,27,29-30,32,35H,2-3,6-15,18-21,26,28H2,(H,49,58)(H,50,56,57)
InChIKeyQCNIPBXGALLUNL-UHFFFAOYSA-N
XLogP6.89
TPSA138.99 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500801.97
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 170740978) is N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C1CCC(c2ccc(N3CCC4(CCC(CN5CCC(n6cc7cc(NC(=O)c8cnn9cccnc89)c(OCC8CC8)cc7n6)CC5)CC4)CC3)cc2F)C(=O)N1.
What is the InChIKey of N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QCNIPBXGALLUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H52FN9O4/c46-37-23-33(4-5-34(37)35-6-7-41(56)50-43(35)57)53-20-14-45(15-21-53)12-8-29(9-13-45)26-52-18-10-32(11-19-52)55-27-31-22-39(40(24-38(31)51-55)59-28-30-2-3-30)49-44(58)36-25-48-54-17-1-16-47-42(36)54/h1,4-5,16-17,22-25,27,29-30,32,35H,2-3,6-15,18-21,26,28H2,(H,49,58)(H,50,56,57).
What are the key properties of N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 801.97 g/mol, XLogP of 6.89, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylmethoxy)-2-[1-[[3-[4-(2,6-dioxopiperidin-3-yl)-3-fluorophenyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]indazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 170740978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).