2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27FN8O2 — CID 90200113

IUPAC2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(C2CC2)c1N1CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C23H27FN8O2/c24-15-9-27-22-19(21(25)29-32(22)12-15)23(33)28-18-11-26-10-17(14-1-2-14)20(18)31-6-4-30(5-7-31)16-3-8-34-13-16/h9-12,14,16H,1-8,13H2,(H2,25,29)(H,28,33)/t16-/m0/s1
InChIKeyBCWGFDQIDIKZGG-INIZCTEOSA-N
MW466.52 g/mol
LogP1.89
Rot. Bonds5

About 2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90200113) has the molecular formula C23H27FN8O2 and a molecular weight of 466.52 g/mol. Its IUPAC name is 2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90200113
Molecular FormulaC23H27FN8O2
Molecular Weight466.52 g/mol
Exact Mass466.22
IUPAC Name2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cc(F)cnc2c1C(=O)Nc1cncc(C2CC2)c1N1CCN([C@H]2CCOC2)CC1
InChIInChI=1S/C23H27FN8O2/c24-15-9-27-22-19(21(25)29-32(22)12-15)23(33)28-18-11-26-10-17(14-1-2-14)20(18)31-6-4-30(5-7-31)16-3-8-34-13-16/h9-12,14,16H,1-8,13H2,(H2,25,29)(H,28,33)/t16-/m0/s1
InChIKeyBCWGFDQIDIKZGG-INIZCTEOSA-N
XLogP1.89
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

Azd-7648
CID 135151360
Gartisertib
CID 86720912
US10774086, Example 17
CID 134551553
US10774086, Example 32
CID 134551574
US10774086, Example 13
CID 134551589
US10774086, Example 18
CID 134551945
5-[[1-(5-fluoro-3-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1S,2S)-2-methoxycyclobutyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449220
5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-N-[(1R,2R)-2-methoxycyclopropyl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449971
2-amino-6-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155550913
Flt3/itd-IN-2
CID 163408821
N-[1-(5-methyl-2-pyridinyl)-3-[4-(oxan-4-yl)piperazin-1-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66557142
US10774086, Example 44
CID 134551768

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90200113) is 2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cc(F)cnc2c1C(=O)Nc1cncc(C2CC2)c1N1CCN([C@H]2CCOC2)CC1.
What is the InChIKey of 2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BCWGFDQIDIKZGG-INIZCTEOSA-N. The full InChI is InChI=1S/C23H27FN8O2/c24-15-9-27-22-19(21(25)29-32(22)12-15)23(33)28-18-11-26-10-17(14-1-2-14)20(18)31-6-4-30(5-7-31)16-3-8-34-13-16/h9-12,14,16H,1-8,13H2,(H2,25,29)(H,28,33)/t16-/m0/s1.
What are the key properties of 2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-cyclopropyl-4-[4-[(3S)-oxolan-3-yl]piperazin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90200113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).