N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H24FN7O2 — CID 146559951

IUPACN-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CC(O)C3)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12
InChIInChI=1S/C23H24FN7O2/c1-25-20-9-19(16-11-30(12-7-13(32)8-12)21-14(16)3-2-6-26-21)28-22-15(10-27-31(20)22)23(33)29-18-5-4-17(18)24/h2-3,6,9-13,17-18,25,32H,4-5,7-8H2,1H3,(H,29,33)/t12?,13?,17-,18-/m0/s1
InChIKeyNAHIMVHZCUJALI-YCWMGOOZSA-N
MW449.49 g/mol
LogP2.71
Rot. Bonds5

About N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146559951) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146559951
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC NameN-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(-c2cn(C3CC(O)C3)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12
InChIInChI=1S/C23H24FN7O2/c1-25-20-9-19(16-11-30(12-7-13(32)8-12)21-14(16)3-2-6-26-21)28-22-15(10-27-31(20)22)23(33)29-18-5-4-17(18)24/h2-3,6,9-13,17-18,25,32H,4-5,7-8H2,1H3,(H,29,33)/t12?,13?,17-,18-/m0/s1
InChIKeyNAHIMVHZCUJALI-YCWMGOOZSA-N
XLogP2.71
TPSA109.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146559951) is N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(-c2cn(C3CC(O)C3)c3ncccc23)nc2c(C(=O)N[C@H]3CC[C@@H]3F)cnn12.
What is the InChIKey of N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NAHIMVHZCUJALI-YCWMGOOZSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-25-20-9-19(16-11-30(12-7-13(32)8-12)21-14(16)3-2-6-26-21)28-22-15(10-27-31(20)22)23(33)29-18-5-4-17(18)24/h2-3,6,9-13,17-18,25,32H,4-5,7-8H2,1H3,(H,29,33)/t12?,13?,17-,18-/m0/s1.
What are the key properties of N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-fluorocyclobutyl]-5-[1-(3-hydroxycyclobutyl)pyrrolo[2,3-b]pyridin-3-yl]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146559951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).