N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H31N7O3 — CID 137449959

IUPACN-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCC4(CCCO4)CC3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C25H31N7O3/c1-26-21-14-20(30-22-18(15-27-32(21)22)23(33)28-16-5-6-16)29-19-4-2-12-31(24(19)34)17-7-10-25(11-8-17)9-3-13-35-25/h2,4,12,14-17,26H,3,5-11,13H2,1H3,(H,28,33)(H,29,30)
InChIKeyUHAZQIUJKZGVFB-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.23
Rot. Bonds6

About N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449959) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449959
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccn(C3CCC4(CCCO4)CC3)c2=O)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C25H31N7O3/c1-26-21-14-20(30-22-18(15-27-32(21)22)23(33)28-16-5-6-16)29-19-4-2-12-31(24(19)34)17-7-10-25(11-8-17)9-3-13-35-25/h2,4,12,14-17,26H,3,5-11,13H2,1H3,(H,28,33)(H,29,30)
InChIKeyUHAZQIUJKZGVFB-UHFFFAOYSA-N
XLogP3.23
TPSA114.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449959) is N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccn(C3CCC4(CCCO4)CC3)c2=O)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UHAZQIUJKZGVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-26-21-14-20(30-22-18(15-27-32(21)22)23(33)28-16-5-6-16)29-19-4-2-12-31(24(19)34)17-7-10-25(11-8-17)9-3-13-35-25/h2,4,12,14-17,26H,3,5-11,13H2,1H3,(H,28,33)(H,29,30).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-[[1-(1-oxaspiro[4.5]decan-8-yl)-2-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).