N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H22FN7O2 — CID 137449691

IUPACN-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cnc2OC2CC2)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C20H22FN7O2/c1-22-17-8-16(26-15-7-11(21)9-23-20(15)30-13-5-6-13)27-18-14(10-24-28(17)18)19(29)25-12-3-2-4-12/h7-10,12-13,22H,2-6H2,1H3,(H,25,29)(H,26,27)
InChIKeySWDPABROZFXPBH-UHFFFAOYSA-N
MW411.44 g/mol
LogP2.87
Rot. Bonds7

About N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449691) has the molecular formula C20H22FN7O2 and a molecular weight of 411.44 g/mol. Its IUPAC name is N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449691
Molecular FormulaC20H22FN7O2
Molecular Weight411.44 g/mol
Exact Mass411.18
IUPAC NameN-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cnc2OC2CC2)nc2c(C(=O)NC3CCC3)cnn12
InChIInChI=1S/C20H22FN7O2/c1-22-17-8-16(26-15-7-11(21)9-23-20(15)30-13-5-6-13)27-18-14(10-24-28(17)18)19(29)25-12-3-2-4-12/h7-10,12-13,22H,2-6H2,1H3,(H,25,29)(H,26,27)
InChIKeySWDPABROZFXPBH-UHFFFAOYSA-N
XLogP2.87
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449691) is N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cnc2OC2CC2)nc2c(C(=O)NC3CCC3)cnn12.
What is the InChIKey of N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SWDPABROZFXPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O2/c1-22-17-8-16(26-15-7-11(21)9-23-20(15)30-13-5-6-13)27-18-14(10-24-28(17)18)19(29)25-12-3-2-4-12/h7-10,12-13,22H,2-6H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[(2-cyclopropyloxy-5-fluoro-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).