N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H25N7O2 — CID 137441388

IUPACN-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc([C@H]3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H25N7O2/c1-22-19-11-18(26-17-7-4-5-15(25-17)16-6-2-3-10-30-16)27-20-14(12-23-28(19)20)21(29)24-13-8-9-13/h4-5,7,11-13,16,22H,2-3,6,8-10H2,1H3,(H,24,29)(H,25,26,27)/t16-/m1/s1
InChIKeyXEYJHJRNFSJFIG-MRXNPFEDSA-N
MW407.48 g/mol
LogP3.04
Rot. Bonds6

About N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137441388) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137441388
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC NameN-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc([C@H]3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C21H25N7O2/c1-22-19-11-18(26-17-7-4-5-15(25-17)16-6-2-3-10-30-16)27-20-14(12-23-28(19)20)21(29)24-13-8-9-13/h4-5,7,11-13,16,22H,2-3,6,8-10H2,1H3,(H,24,29)(H,25,26,27)/t16-/m1/s1
InChIKeyXEYJHJRNFSJFIG-MRXNPFEDSA-N
XLogP3.04
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137441388) is N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc([C@H]3CCCCO3)n2)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XEYJHJRNFSJFIG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-22-19-11-18(26-17-7-4-5-15(25-17)16-6-2-3-10-30-16)27-20-14(12-23-28(19)20)21(29)24-13-8-9-13/h4-5,7,11-13,16,22H,2-3,6,8-10H2,1H3,(H,24,29)(H,25,26,27)/t16-/m1/s1.
What are the key properties of N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-[[6-[(2R)-oxan-2-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137441388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).