N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H26FN7O2 — CID 146560148

IUPACN-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(NC2=CC=CN(C(C)C)C2O)nc2c(C(=O)NC3CC[C@@H]3F)cnn12
InChIInChI=1S/C20H26FN7O2/c1-11(2)27-8-4-5-15(20(27)30)24-16-9-17(22-3)28-18(26-16)12(10-23-28)19(29)25-14-7-6-13(14)21/h4-5,8-11,13-14,20,22,30H,6-7H2,1-3H3,(H,24,26)(H,25,29)/t13-,14?,20?/m0/s1
InChIKeyNMKOFPFKLLKEQD-LTQQYIGLSA-N
MW415.47 g/mol
LogP1.85
Rot. Bonds6

About N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146560148) has the molecular formula C20H26FN7O2 and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146560148
Molecular FormulaC20H26FN7O2
Molecular Weight415.47 g/mol
Exact Mass415.21
IUPAC NameN-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(NC2=CC=CN(C(C)C)C2O)nc2c(C(=O)NC3CC[C@@H]3F)cnn12
InChIInChI=1S/C20H26FN7O2/c1-11(2)27-8-4-5-15(20(27)30)24-16-9-17(22-3)28-18(26-16)12(10-23-28)19(29)25-14-7-6-13(14)21/h4-5,8-11,13-14,20,22,30H,6-7H2,1-3H3,(H,24,26)(H,25,29)/t13-,14?,20?/m0/s1
InChIKeyNMKOFPFKLLKEQD-LTQQYIGLSA-N
XLogP1.85
TPSA106.82 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146560148) is N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(NC2=CC=CN(C(C)C)C2O)nc2c(C(=O)NC3CC[C@@H]3F)cnn12.
What is the InChIKey of N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NMKOFPFKLLKEQD-LTQQYIGLSA-N. The full InChI is InChI=1S/C20H26FN7O2/c1-11(2)27-8-4-5-15(20(27)30)24-16-9-17(22-3)28-18(26-16)12(10-23-28)19(29)25-14-7-6-13(14)21/h4-5,8-11,13-14,20,22,30H,6-7H2,1-3H3,(H,24,26)(H,25,29)/t13-,14?,20?/m0/s1.
What are the key properties of N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 1.85, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-fluorocyclobutyl]-5-[(2-hydroxy-1-propan-2-yl-2H-pyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146560148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).