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

C19H22FN7O2 — CID 137449321

IUPACN-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cnc2OC(C)C)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C19H22FN7O2/c1-10(2)29-19-14(6-11(20)8-22-19)25-15-7-16(21-3)27-17(26-15)13(9-23-27)18(28)24-12-4-5-12/h6-10,12,21H,4-5H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyYISDXBIEEAIONG-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.73
Rot. Bonds7

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

N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449321) has the molecular formula C19H22FN7O2 and a molecular weight of 399.43 g/mol. Its IUPAC name is N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449321
Molecular FormulaC19H22FN7O2
Molecular Weight399.43 g/mol
Exact Mass399.18
IUPAC NameN-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cnc2OC(C)C)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C19H22FN7O2/c1-10(2)29-19-14(6-11(20)8-22-19)25-15-7-16(21-3)27-17(26-15)13(9-23-27)18(28)24-12-4-5-12/h6-10,12,21H,4-5H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyYISDXBIEEAIONG-UHFFFAOYSA-N
XLogP2.73
TPSA105.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449321) is N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cnc2OC(C)C)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YISDXBIEEAIONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN7O2/c1-10(2)29-19-14(6-11(20)8-22-19)25-15-7-16(21-3)27-17(26-15)13(9-23-27)18(28)24-12-4-5-12/h6-10,12,21H,4-5H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(5-fluoro-2-propan-2-yloxy-3-pyridinyl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).