NGCMVCUKOTXWIX-LBPRGKRZSA-N

Name: NGCMVCUKOTXWIX-LBPRGKRZSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₁₈F₃N₇O₃ — CID 121331819

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

SMILESC[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2)c2cncnc21

InChIInChI=1S/C21H18F3N7O3/c1-12(10-32)31-8-16(15-7-26-11-27-20(15)31)19(34)13-4-14(6-25-5-13)28-18(33)9-30-3-2-17(29-30)21(22,23)24/h2-8,11-12,32H,9-10H2,1H3,(H,28,33)/t12-/m0/s1

InChIKeyNGCMVCUKOTXWIX-LBPRGKRZSA-N

MW473.42 g/mol

LogP2.46

Rot. Bonds7

About NGCMVCUKOTXWIX-LBPRGKRZSA-N

NGCMVCUKOTXWIX-LBPRGKRZSA-N (PubChem CID 121331819) has the molecular formula C₂₁H₁₈F₃N₇O₃ and a molecular weight of 473.42 g/mol. Its IUPAC name is N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name	NGCMVCUKOTXWIX-LBPRGKRZSA-N
PubChem CID	121331819
Molecular Formula	C₂₁H₁₈F₃N₇O₃
Molecular Weight	473.42 g/mol
Exact Mass	473.14
IUPAC Name	N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILES	C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2)c2cncnc21
InChI	InChI=1S/C21H18F3N7O3/c1-12(10-32)31-8-16(15-7-26-11-27-20(15)31)19(34)13-4-14(6-25-5-13)28-18(33)9-30-3-2-17(29-30)21(22,23)24/h2-8,11-12,32H,9-10H2,1H3,(H,28,33)/t12-/m0/s1
InChIKey	NGCMVCUKOTXWIX-LBPRGKRZSA-N
XLogP	2.46
TPSA	127.82 Å²
H-Bond Donors	2
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.42
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of NGCMVCUKOTXWIX-LBPRGKRZSA-N?

The IUPAC name of NGCMVCUKOTXWIX-LBPRGKRZSA-N (CID 121331819) is N-[5-[7-[(2S)-1-hydroxypropan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

What is the SMILES notation for NGCMVCUKOTXWIX-LBPRGKRZSA-N?

The canonical SMILES for NGCMVCUKOTXWIX-LBPRGKRZSA-N is C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cn3ccc(C(F)(F)F)n3)c2)c2cncnc21.

What is the InChIKey of NGCMVCUKOTXWIX-LBPRGKRZSA-N?

The InChIKey is NGCMVCUKOTXWIX-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H18F3N7O3/c1-12(10-32)31-8-16(15-7-26-11-27-20(15)31)19(34)13-4-14(6-25-5-13)28-18(33)9-30-3-2-17(29-30)21(22,23)24/h2-8,11-12,32H,9-10H2,1H3,(H,28,33)/t12-/m0/s1.

What are the key properties of NGCMVCUKOTXWIX-LBPRGKRZSA-N?

NGCMVCUKOTXWIX-LBPRGKRZSA-N has a molecular weight of 473.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for NGCMVCUKOTXWIX-LBPRGKRZSA-N is sourced from PubChem (CID 121331819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121331819 — identifiers, structure, computed properties (public domain)

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